2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-benzyl-acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-benzylacetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-benzyl-acetamide Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3OS/c24-19(21-13-15-7-2-1-3-8-15)14-23-12-6-10-17(23)20-22-16-9-4-5-11-18(16)25-20/h1-5,7-9,11,17H,6,10,12-14H2,(H,21,24)/p+1/t17-/m1/s1